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5O3X
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BU of 5o3x by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1
Descriptor: CACODYLATE ION, Peptide cyclase 1
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
5O3V
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BU of 5o3v by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin B1
Descriptor: MAGNESIUM ION, Peptide cyclase 1, Putative presegetalin B1, ...
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
5O3U
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BU of 5o3u by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin F1
Descriptor: Peptide cyclase 1, Putative presegetalin F1
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
5O3W
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BU of 5o3w by Molmil
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin A1
Descriptor: MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1, ...
Authors:Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H.
Deposit date:2017-05-25
Release date:2018-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
8SSN
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BU of 8ssn by Molmil
Abl kinase in complex with SKI and asciminib
Descriptor: 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Ludewig, H, Kim, C, Kern, D.
Deposit date:2023-05-08
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SSP
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BU of 8ssp by Molmil
AurA bound to danusertib and activating monobody Mb1
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Ludewig, H, Kim, C, Kern, D.
Deposit date:2023-05-08
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SSO
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BU of 8sso by Molmil
AurA bound to danusertib and inhibiting monobody Mb2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ...
Authors:Ludewig, H, Kim, C, Kern, D.
Deposit date:2023-05-08
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
6QGM
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BU of 6qgm by Molmil
VirX1 apo structure
Descriptor: VirX1
Authors:Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M.
Deposit date:2019-01-11
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
5N4B
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BU of 5n4b by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - S577A mutant
Descriptor: Alpha-amanitin proprotein, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N4E
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BU of 5n4e by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N4C
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BU of 5n4c by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - S577A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N4D
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BU of 5n4d by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A mutant
Descriptor: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
5N4F
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BU of 5n4f by Molmil
Prolyl oligopeptidase B from Galerina marginata - apo protein
Descriptor: GLYCEROL, Prolyl oligopeptidase
Authors:Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
Deposit date:2017-02-10
Release date:2017-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
6TAH
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BU of 6tah by Molmil
Crystal structure of a Nu-class Glutathione-S-Transferase from Pseudomonas aeruginosa PACS2 bound to glutathione
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Glutathione S-transferase, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2019-10-29
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of nu-class glutathione transferase from Pseudomonas aeruginosa related to YfcG from E. coli
To Be Published
4V1U
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BU of 4v1u by Molmil
Heterocyclase in complex with substrate and Cofactor
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, LYND, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Nat.Chem.Biol., 11, 2015
4V1V
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BU of 4v1v by Molmil
Heterocyclase in complex with substrate and Cofactor
Descriptor: LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Nat.Chem.Biol., 11, 2015
4V1T
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BU of 4v1t by Molmil
Heterocyclase in complex with substrate and Cofactor
Descriptor: ADENOSINE-5'-DIPHOSPHATE, LYND, MAGNESIUM ION, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing
Nat.Chem.Biol., 11, 2015
8P6J
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BU of 8p6j by Molmil
Structure of the hypervariable region of Streptococcus pyogenes M3 protein in complex with a collagen peptide
Descriptor: Antiphagocytic M protein, type 3, collagen II-27 Toolkit peptide (JDM238)
Authors:Wojnowska, M, Schwarz-Linek, U.
Deposit date:2023-05-26
Release date:2023-06-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.324 Å)
Cite:Structural basis for collagen recognition by the Streptococcus pyogenes M3 protein
To Be Published
8P6K
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BU of 8p6k by Molmil
Structure of the hypervariable region of Streptococcus pyogenes M3 protein
Descriptor: Antiphagocytic M protein, type 3
Authors:Wojnowska, M, Schwarz-Linek, U.
Deposit date:2023-05-26
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structural basis for collagen recognition by the Streptococcus pyogenes M3 protein
To Be Published

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PDB entries from 2024-05-15

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